SCHEMBL16809602

SCHEMBL16809602

CCOC(=O)C(N=O)c1cc(OC)ccc1O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.44
MAPT P10636 2/20 0.44
TDP2 O95551 1/20 0.44
POLB P06746 1/20 0.44
ALDH1A1 P00352 5/20 0.41
L3MBTL1 Q9Y468 3/20 0.41
MAPK1 P28482 2/20 0.41
TSHR P16473 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
HPGD P15428 5/20 0.40
CYP3A4 P08684 2/20 0.40
HSD17B2 P37059 1/20 0.40
CA12 O43570 2/20 0.40
CA2 P00918 2/20 0.40
CA7 P43166 2/20 0.40
CA9 Q16790 2/20 0.40
CA14 Q9ULX7 2/20 0.40
BCHE P06276 1/20 0.40
TYR P14679 1/20 0.40
ACHE P22303 1/20 0.40

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL16797641 0.81 MAPT (0.47) GAAMAPTTDP2POLBALDH1A1
SCHEMBL12949113 0.72 GAA (0.47) GAAMAPTTDP2POLBALDH1A1
SCHEMBL9202048 0.71 BCHE (0.50) GAAMAPTTDP2POLBALDH1A1
SCHEMBL10665110 0.71 ADRA1A (0.54) GAAMAPTALDH1A1L3MBTL1MAPK1
SCHEMBL13637390 0.71 RORC (0.54) GAAMAPTTDP2POLBALDH1A1
SCHEMBL30562928 0.71 RORC (0.54) GAAMAPTTDP2POLBALDH1A1
SCHEMBL6367769 0.70 ALDH1A1 (0.42) GAAMAPTALDH1A1L3MBTL1MAPK1
SCHEMBL14095369 0.70 ALDH1A1 (0.42) GAAMAPTPOLBALDH1A1L3MBTL1
SCHEMBL8615947 0.70 ALDH1A1 (0.47) GAAMAPTTDP2POLBALDH1A1
SCHEMBL2709952 0.70 CA12 (0.73) GAAMAPTALDH1A1L3MBTL1MAPK1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2015088272-A9 SULFAMATE DERIVATIVE COMPOUNDS FOR USE IN TREATING OR ALLEVIATING PAIN BIO-PHARM SOLUTIONS CO., LTD. (KR) 2015-10-01 WO disclosed
WO-2015088272-A1 SULFAMATE DERIVATIVE COMPOUNDS FOR USE IN TREATING OR ALLEVIATING PAIN BIO-PHARM SOLUTIONS CO., LTD. (KR) 2015-06-18 WO disclosed